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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006872.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9006872
_chemical_name 'Loparite'
loop_
_publ_author_name
'Mitchell R H'
'Chakhmouradian A R'
'Woodward P M'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 27
_journal_year 2000
_journal_page_first 583
_journal_page_last 589
_publ_section_title
;
 Crystal chemistry of perovskite-type compounds in the
 tausonite-loparite series, (Sr1-2xNaxLax)TiO3
 Sample: x = 0.40
;
_chemical_formula_sum '(Sr.2 Na.4 La.4) Ti O3'
_cell_length_a 5.4882
_cell_length_b 5.4882
_cell_length_c 13.442
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 350.634
_symmetry_space_group_name_H-M 'R -3 c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,1/2+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  'y,x,1/2-z'
  '2/3+y,1/3+x,5/6-z'
  '1/3+y,2/3+x,1/6-z'
  '-x+y,y,1/2+z'
  '2/3-x+y,1/3+y,5/6+z'
  '1/3-x+y,2/3+y,1/6+z'
  '-x,-x+y,1/2-z'
  '2/3-x,1/3-x+y,5/6-z'
  '1/3-x,2/3-x+y,1/6-z'
  '-y,-x,1/2+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3-y,2/3-x,1/6+z'
  'x-y,-y,1/2-z'
  '2/3+x-y,1/3-y,5/6-z'
  '1/3+x-y,2/3-y,1/6-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
SrA   0.00000   0.00000   0.25000   0.20000   0.01127
NaA   0.00000   0.00000   0.25000   0.40000   0.01127
LaA   0.00000   0.00000   0.25000   0.40000   0.01127
Ti   0.00000   0.00000   0.00000   1.00000   0.01267
O   0.53300   0.00000   0.25000   1.00000   0.01646